methyl 3-(1H-indol-3-yl)-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[4-(2-quinolylsulfanylmethyl)benzoyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[4-(quinolin-2-ylsulfanylmethyl)benzoyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[4-[(2-quinolylthio)methyl]benzoyl]amino]propionic acid methyl ester Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H25N3O3S/c1-35-29(34)26(16-22-17-30-25-9-5-3-7-23(22)25)32-28(33)21-12-10-19(11-13-21)18-36-27-15-14-20-6-2-4-8-24(20)31-27/h2-15,17,26,30H,16,18H2,1H3,(H,32,33)